Geometry & MOs

Info

ID:	358939
PubChem CID:	127296830
Reduced:	ON2C10H18 (2)
Stoich.:	AB2C10D18 (2)
Weight, g/mol:	326.141262
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	6.15
IP(EA), eV:	-8.83(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N2CCN(CC2)CC(=O)N3CCCCC3C

DOS

IR

Vibrations